N-BENZOYL-4-PIPERIDONE

Base Information

• Chemical Name: N-BENZOYL-4-PIPERIDONE
• CAS No.: 24686-78-0
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• Hs Code.: 29333999
• European Community (EC) Number: 246-407-9
• NSC Number: 97564
• UNII: NSA9KD42VW
• DSSTox Substance ID: DTXSID80179425
• Nikkaji Number: J286.374J
• Wikidata: Q83049967
• Mol file: 24686-78-0.mol

Synonyms:4-Piperidone,1-benzoyl- (8CI);1-Benzoyl-4-oxopiperidine;1-Benzoyl-4-piperidinone;1-Benzoyl-4-piperidone;N-Benzoyl-4-piperidone;NSC 97564;N-Benzoylpiperidone;

Chemical Property of N-BENZOYL-4-PIPERIDONE

Chemical Property:

• Appearance/Colour: light yellow granular powder or granules
• Vapor Pressure: 9.9E-07mmHg at 25°C
• Melting Point: 55-59 °C(lit.)
• Refractive Index: 1.573
• Boiling Point: 158-160 °C0.2 mm Hg(lit.)
• PKA: -1.45±0.20(Predicted)
• Flash Point: 175.7 °C
• PSA: 37.38000
• Density: 1.188 g/cm³
• LogP: 1.42960
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: methylene chloride: soluble
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

1-Benzoylpiperidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCC1=O)C(=O)C2=CC=CC=C2
• Uses: 1-Benzoyl-4-piperidone can be used as starting reagent in the synthesis of fentanyl.

Technology Process of N-BENZOYL-4-PIPERIDONE

There total 19 articles about N-BENZOYL-4-PIPERIDONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

phenyl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (84157-05-1) → 1-Benzoyl-4-piperidone (24686-78-0)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 50h;

DOI:10.1248/bpb.25.1030

Reference yield: 97.0%

piperidine-4,4-diol hydrochloride (40064-34-4) + benzoyl chloride (98-88-4) → 1-Benzoyl-4-piperidone (24686-78-0)

Guidance literature:

With potassium carbonate; In dichloromethane; water; at 25 ℃; for 3h;

DOI:10.1007/s10593-011-0802-4

Reference yield: 96.0%

formic acid (64-18-6) + phenyl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (84157-05-1) → 1-Benzoyl-4-piperidone (24686-78-0)

Guidance literature:

With copper(II) sulfate; In water; at 80 ℃; for 16h;

upstream raw materials:

4-piperidone hydrochloride

benzoyl chloride

(4-Hydroxy-4-methoxy-piperidin-1-yl)-phenyl-methanone

4-piperidinone monohydrate

Downstream raw materials:

1-benzoyl-piperidin-4-one oxime

Phenyl-[4-((S)-1-phenyl-ethylimino)-piperidin-1-yl]-methanone

(4-benzylamino-piperidin-1-yl)-phenyl-methanone

1-benzoyl-3-formyl-4-chloro-1,2,5,6-tetrahydropyridine